ethyl 2-[(E)-dimethylaminomethylideneamino]-5-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(E)-dimethylaminomethylideneamino]-5-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]thiophene-3-carboxylate Openeye Name: ethyl 2-[(E)-dimethylaminomethyleneamino]-5-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]thiophene-3-carboxylate CAS Name: 2-[(E)-dimethylaminomethylideneamino]-5-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-dimethylaminomethylideneamino]-5-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]thiophene-3-carboxylate Traditional Name: 2-[(E)-dimethylaminomethyleneamino]-5-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]thiophene-3-carboxylic acid ethyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)N=CN(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)/N=C/N(C)C

InChI

InChI=1S/C21H22N4O3S/c1-5-28-21(27)18-12-16(29-19(18)22-13-24(3)4)11-17-14(2)23-25(20(17)26)15-9-7-6-8-10-15/h6-13H,5H2,1-4H3/b17-11+,22-13+